Geometry & MOs

Info

ID:	376398
PubChem CID:	134222410
Reduced:	O3F5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	602.281936
ΔH_f, kcal/mol:	-372.11
Dipole, Da:	5.01
IP(EA), eV:	-9.41(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-2-[4-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3-fluorophenyl]phenyl]cyclohexyl]oxane

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2CCC(OC2)C3=CC(=C(C=C3)C(OC4=CC(=C(C=C4)OCF)F)(F)F)F

DOS

IR

Vibrations